1-(2-chlorophenyl)-4-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]pyrrolidin-2-one

C25H26ClN5O3 — CID 134042174

IUPAC1-(2-chlorophenyl)-4-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCc1ccc(-c2noc(CN3CCN(C(=O)C4CC(=O)N(c5ccccc5Cl)C4)CC3)n2)cc1
InChIInChI=1S/C25H26ClN5O3/c1-17-6-8-18(9-7-17)24-27-22(34-28-24)16-29-10-12-30(13-11-29)25(33)19-14-23(32)31(15-19)21-5-3-2-4-20(21)26/h2-9,19H,10-16H2,1H3
InChIKeyXSWXJLPLJIKZTA-UHFFFAOYSA-N
MW479.97 g/mol
LogP3.40
Rot. Bonds5

About 1-(2-chlorophenyl)-4-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]pyrrolidin-2-one

1-(2-chlorophenyl)-4-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 134042174) has the molecular formula C25H26ClN5O3 and a molecular weight of 479.97 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-4-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)-4-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID134042174
Molecular FormulaC25H26ClN5O3
Molecular Weight479.97 g/mol
Exact Mass479.17
IUPAC Name1-(2-chlorophenyl)-4-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCc1ccc(-c2noc(CN3CCN(C(=O)C4CC(=O)N(c5ccccc5Cl)C4)CC3)n2)cc1
InChIInChI=1S/C25H26ClN5O3/c1-17-6-8-18(9-7-17)24-27-22(34-28-24)16-29-10-12-30(13-11-29)25(33)19-14-23(32)31(15-19)21-5-3-2-4-20(21)26/h2-9,19H,10-16H2,1H3
InChIKeyXSWXJLPLJIKZTA-UHFFFAOYSA-N
XLogP3.40
TPSA82.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.97
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]-1-pentan-3-ylpyrrolidin-2-one
CID 112827875
[4-(2-methoxyphenyl)piperazin-1-yl]-[1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanone
CID 38141711
[1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 43930302
1-(2-chlorophenyl)-4-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 134045069
[1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-piperidin-1-ylmethanone
CID 43930303
[4-(benzenesulfonyl)piperazin-1-yl]-[1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanone
CID 38142418
2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]phenol
CID 27156351
tert-butyl 3-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]piperidine-1-carboxylate
CID 24611546
(3-aminocyclohexyl)-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone;dihydrochloride
CID 119839983
4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-(2-fluoro-4-methylphenyl)pyrrolidin-2-one
CID 55604907
[1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 43930510
1-(2-chlorophenyl)-4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 43045456

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-4-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-(2-chlorophenyl)-4-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]pyrrolidin-2-one (CID 134042174) is 1-(2-chlorophenyl)-4-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-(2-chlorophenyl)-4-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-(2-chlorophenyl)-4-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]pyrrolidin-2-one is Cc1ccc(-c2noc(CN3CCN(C(=O)C4CC(=O)N(c5ccccc5Cl)C4)CC3)n2)cc1.
What is the InChIKey of 1-(2-chlorophenyl)-4-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is XSWXJLPLJIKZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN5O3/c1-17-6-8-18(9-7-17)24-27-22(34-28-24)16-29-10-12-30(13-11-29)25(33)19-14-23(32)31(15-19)21-5-3-2-4-20(21)26/h2-9,19H,10-16H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-4-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]pyrrolidin-2-one?
1-(2-chlorophenyl)-4-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 479.97 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-4-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 134042174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).